[(2S)-3-[(2-methylphenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]-bis(phenylmethyl)azanium

Systemtic Name: [(2S)-3-[(2-methylphenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(2S)-2-hydroxy-3-[N-(o-tolylsulfonyl)anilino]propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(N-(2-methylphenyl)sulfonylanilino)propyl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(2S)-2-hydroxy-3-(N-(2-methylphenyl)sulfonylanilino)propyl]azanium Traditional Name: dibenzyl-[(2S)-2-hydroxy-3-[N-(o-tolylsulfonyl)anilino]propyl]ammonium Formula: C30H33N2O3S+ MolecularWeight: 501.65962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N(CC(C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N(C[C@H](C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C30H32N2O3S/c1-25-13-11-12-20-30(25)36(34,35)32(28-18-9-4-10-19-28)24-29(33)23-31(21-26-14-5-2-6-15-26)22-27-16-7-3-8-17-27/h2-20,29,33H,21-24H2,1H3/p+1/t29-/m0/s1